WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 206773
CAS#: 1803274-65-8
Description: BAY-1436032 is a potent, selective and orally available inhibitor of mutant Isocitrate Dehydrogenase 1 (mIDH1). BAY 1436032 is a double-digit nanomolar and selective pan-inhibitor of the enzymatic activity of various IDH1-R132X mutants in vitro and displayed potent inhibition of 2-HG release (nanomolar range) in patient derived and engineered cell lines expressing different IDH1 mutants. In line with the proposed mode of action, a concentration-dependent lowering of 2-HG was observed in vitro accompanied by differentiation and maturation of mIDH1 tumor cells. Furthermore, BAY 1436032 showed a favourable selectivity profile against wtIDH1/2 and a large panel of off-targets in vitro.
MedKoo Cat#: 206773
Name: BAY-1436032
CAS#: 1803274-65-8
Chemical Formula: C26H30F3N3O3
Exact Mass: 489.2239
Molecular Weight: 489.5392
Elemental Analysis: C, 63.79; H, 6.18; F, 11.64; N, 8.58; O, 9.80
Synonym: BAY-1436032; BAY 1436032; BAY1436032.
IUPAC/Chemical Name: 3-(2-((4-(trifluoromethoxy)phenyl)amino)-1-((1R,5R)-3,3,5-trimethylcyclohexyl)-1H-benzo[d]imidazol-5-yl)propanoic acid
InChi Key: RNMAUIMMNAHKQR-QFBILLFUSA-N
InChi Code: InChI=1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/m0/s1
SMILES Code: O=C(O)CCC1=CC=C2N([C@H]3CC(C)(C)C[C@@H](C)C3)C(NC4=CC=C(OC(F)(F)F)C=C4)=NC2=C1
http://cancerres.aacrjournals.org/content/76/14_Supplement/2645